3-(methanesulfonamido)-N-methylpropanamide

C5H12N2O3S — CID 60763734

IUPAC3-(methanesulfonamido)-N-methylpropanamide
SMILESCNC(=O)CCNS(C)(=O)=O
InChIInChI=1S/C5H12N2O3S/c1-6-5(8)3-4-7-11(2,9)10/h7H,3-4H2,1-2H3,(H,6,8)
InChIKeyYSJIZMOCPBHMPQ-UHFFFAOYSA-N
MW180.23 g/mol
LogP-1.33
Rot. Bonds4

About 3-(methanesulfonamido)-N-methylpropanamide

3-(methanesulfonamido)-N-methylpropanamide (PubChem CID 60763734) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-methylpropanamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-methylpropanamide
PubChem CID60763734
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Name3-(methanesulfonamido)-N-methylpropanamide
SMILESCNC(=O)CCNS(C)(=O)=O
InChIInChI=1S/C5H12N2O3S/c1-6-5(8)3-4-7-11(2,9)10/h7H,3-4H2,1-2H3,(H,6,8)
InChIKeyYSJIZMOCPBHMPQ-UHFFFAOYSA-N
XLogP-1.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-methylpropanamide?
The IUPAC name of 3-(methanesulfonamido)-N-methylpropanamide (CID 60763734) is 3-(methanesulfonamido)-N-methylpropanamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-methylpropanamide?
The canonical SMILES for 3-(methanesulfonamido)-N-methylpropanamide is CNC(=O)CCNS(C)(=O)=O.
What is the InChIKey of 3-(methanesulfonamido)-N-methylpropanamide?
The InChIKey is YSJIZMOCPBHMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c1-6-5(8)3-4-7-11(2,9)10/h7H,3-4H2,1-2H3,(H,6,8).
What are the key properties of 3-(methanesulfonamido)-N-methylpropanamide?
3-(methanesulfonamido)-N-methylpropanamide has a molecular weight of 180.23 g/mol, XLogP of -1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-methylpropanamide is sourced from PubChem (CID 60763734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).